N-(4-butylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-butylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-butylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-keto-isochroman-3-carboxamide Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H21NO3/c1-2-3-6-14-9-11-16(12-10-14)21-19(22)18-13-15-7-4-5-8-17(15)20(23)24-18/h4-5,7-12,18H,2-3,6,13H2,1H3,(H,21,22)